2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol

C13H27NO — CID 81418444

IUPAC2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCC1(C)CCCC1
InChIInChI=1S/C13H27NO/c1-4-12(2,11-15)9-14-10-13(3)7-5-6-8-13/h14-15H,4-11H2,1-3H3
InChIKeyBQNIPHYMTUEFFX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds6

About 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol

2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol (PubChem CID 81418444) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol
PubChem CID81418444
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCC1(C)CCCC1
InChIInChI=1S/C13H27NO/c1-4-12(2,11-15)9-14-10-13(3)7-5-6-8-13/h14-15H,4-11H2,1-3H3
InChIKeyBQNIPHYMTUEFFX-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[(1-methylcyclopropyl)methylamino]methyl]butan-1-ol
CID 107166672
2-methyl-1-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 103734842
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]oxan-4-ol
CID 81419874
2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 115426986
2-[(1-methylcyclohexyl)methylamino]ethanol
CID 106827219
1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
CID 63830115
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63821289
4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
CID 115653658
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
2-[[(4-ethylcyclohexyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81419618
2-hydroxy-2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 106509809

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol (CID 81418444) is 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol is CCC(C)(CO)CNCC1(C)CCCC1.
What is the InChIKey of 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol?
The InChIKey is BQNIPHYMTUEFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-12(2,11-15)9-14-10-13(3)7-5-6-8-13/h14-15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol?
2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 81418444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).